N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C18H23N5O — CID 109307486

IUPACN-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C18H23N5O/c24-17(22-15-5-3-1-2-4-6-15)16-9-12-20-18(23-16)21-13-14-7-10-19-11-8-14/h7-12,15H,1-6,13H2,(H,22,24)(H,20,21,23)
InChIKeyIMILXBCKMZMJTO-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.94
Rot. Bonds5

About N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307486) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307486
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C18H23N5O/c24-17(22-15-5-3-1-2-4-6-15)16-9-12-20-18(23-16)21-13-14-7-10-19-11-8-14/h7-12,15H,1-6,13H2,(H,22,24)(H,20,21,23)
InChIKeyIMILXBCKMZMJTO-UHFFFAOYSA-N
XLogP2.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307464
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298799
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307486) is N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is O=C(NC1CCCCCC1)c1ccnc(NCc2ccncc2)n1.
What is the InChIKey of N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is IMILXBCKMZMJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17(22-15-5-3-1-2-4-6-15)16-9-12-20-18(23-16)21-13-14-7-10-19-11-8-14/h7-12,15H,1-6,13H2,(H,22,24)(H,20,21,23).
What are the key properties of N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).